1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione

C15H18N2O3 — CID 10540680

IUPAC1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)c1cn(COCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H18N2O3/c1-11(2)13-8-17(15(19)16-14(13)18)10-20-9-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,16,18,19)
InChIKeyCGYWBDRYSUCFQD-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.83
Rot. Bonds5

About 1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione

1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 10540680) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID10540680
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)c1cn(COCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H18N2O3/c1-11(2)13-8-17(15(19)16-14(13)18)10-20-9-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,16,18,19)
InChIKeyCGYWBDRYSUCFQD-UHFFFAOYSA-N
XLogP1.83
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione (CID 10540680) is 1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione is CC(C)c1cn(COCc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is CGYWBDRYSUCFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11(2)13-8-17(15(19)16-14(13)18)10-20-9-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,16,18,19).
What are the key properties of 1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione?
1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 274.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 10540680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).